F084-0613 Screening compound: ethyl 4-[3-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate

F084-0613 Screening compound: ethyl 4-[3-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate
F084-0613 Screening compound: ethyl 4-[3-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F084-0613
ethyl 4-[3-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

F084-0613

Molecular Formula

C20H26N6O4S (C20 H26 N6 O4 S)

Compound Name

ethyl 4-[3-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-(3-{7-oxo-8-propyl-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl}propanoyl)piperazine-1-carboxylate

SMILES

CCCN(c1nnc(CCC(N(CC2)CCN2C(OCC)=O)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C20H26N6O4S/c1-3-8-25-18(28)17-14(7-13-31-17)26-15(21-22-19(25)26)5-6-16(27)23-9-11-24(12-10-23)20(29)30-4-2/h7,13H,3-6,8-12H2,1-2H3

InChI Key

DDLAAFCAIMHHPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27100780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.430

Distribution Coefficient, logD

1.430

Water Solubility, LogSw

-2.16

Polar Surface Area

80.147

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

F084-0613 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F084-0613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F084-0613?
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What is the minimum amount of F084-0613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F084-0613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F084-0613
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of F084-0613 available by request